Molecular Properties | |
SMILES: | COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccc(Cl)cc2)cc1 |
MW: | 431.07 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 88.6 |
cLogP: | 3.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1715061493 |
MolPort: | MolPort-001-910-461 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-88
0.773
MAR-TRE-74c6519b-56
0.773
MAR-TRE-d0525fbf-92
0.763
KEI-TRE-d5e2018a-95
0.763
KEI-TRE-d5e2018a-33
0.716
KEI-TRE-d5e2018a-50
0.616
KEI-TRE-d5e2018a-59
0.605
KEI-TRE-d5e2018a-75
0.593
KEI-TRE-d5e2018a-64
0.588
KEI-TRE-d5e2018a-87
0.581
KEI-TRE-d5e2018a-18
0.580
KEI-TRE-d5e2018a-78
0.573
MAR-TRE-4b834d9a-79
0.551
KEI-TRE-d5e2018a-93
0.539
KEI-TRE-d5e2018a-39
0.538
KEI-TRE-d5e2018a-54
0.536
MAR-TRE-7f7bb9f0-6
0.536
KEI-TRE-d5e2018a-92
0.512
KEI-TRE-d5e2018a-31
0.495
KEI-TRE-d5e2018a-1
0.490
KEI-TRE-d5e2018a-46
0.479
KEI-TRE-d5e2018a-89
0.471
MAR-TRE-7f7bb9f0-90
0.469
KEI-TRE-d5e2018a-2
0.457
MAR-TRE-2fd8122f-98
0.447
KEI-TRE-d5e2018a-4
0.433
MAR-TRE-7f7bb9f0-16
0.430
KEI-TRE-d5e2018a-27
0.430
KEI-TRE-d5e2018a-7
0.427
MAR-TRE-4b834d9a-16
0.427
KEI-TRE-d5e2018a-65
0.424
MAR-TRE-67513f76-32
0.424
KEI-TRE-d5e2018a-99
0.424
MAR-TRE-d0525fbf-55
0.421
MAR-TRE-7f7bb9f0-74
0.420
MAK-UNK-a7b37c5e-4
0.416
MAR-TRE-67513f76-55
0.400
KEI-TRE-d5e2018a-91
0.398
KEI-TRE-d5e2018a-67
0.394
MAR-TRE-2fd8122f-64
0.389
JOH-IMS-62aeb97d-5
0.389
MAK-UNK-ca11b4f7-1
0.389
MAR-TRE-3e4e6814-50
0.384
AGN-NEW-891393a6-1
0.384
MAR-TRE-67513f76-81
0.380
MAR-TRE-3e4e6814-6
0.376
CHR-SOS-70e4c98a-5
0.376
CHR-SOS-70e4c98a-11
0.374
MAR-TRE-b77b7921-85
0.374
MAR-TRE-7f7bb9f0-46
0.372
DAR-DIA-23aa0b97-16
0.366
KEI-TRE-d5e2018a-34
0.362
KEI-TRE-d5e2018a-80
0.362
EDG-MED-0da5ad92-2
0.361
KEI-TRE-d5e2018a-16
0.358
MAR-TRE-04c86cea-17
0.358
CHR-SOS-70e4c98a-7
0.358
KEI-TRE-d5e2018a-19
0.355
SAN-PRS-52b81272-2
0.354
DAR-DIA-842b4336-10
0.354
WAR-XCH-6eb0722e-2
0.354
MAR-TRE-7f7bb9f0-49
0.353
WAR-XCH-6eb0722e-4
0.351
CHR-SOS-70e4c98a-2
0.351
CHR-SOS-70e4c98a-9
0.351
SAD-SAT-24589cd1-4
0.350
MAK-UNK-a7b37c5e-1
0.349
WIL-UNI-5578df48-5
0.348
MAR-TRE-2fd8122f-2
0.348
KEI-TRE-d5e2018a-14
0.348
KEI-TRE-d5e2018a-76
0.347
MAR-TRE-2fd8122f-50
0.347
CHR-SOS-7098f804-19
0.347
KEI-TRE-d5e2018a-71
0.347
THO-SYG-f9b2970d-5
0.346
DAR-DIA-23aa0b97-15
0.346
ALE-HEI-f28a35b5-5
0.345
MED-UNK-e6e8ef8a-6
0.345
DAR-DIA-842b4336-13
0.345
MAR-TRE-2fd8122f-78
0.345
AGN-NEW-891393a6-2
0.345
KEI-TRE-d5e2018a-56
0.343
MAR-TRE-2fd8122f-4
0.343
CHR-SOS-70e4c98a-4
0.343
MAR-TRE-b77b7921-40
0.343
BEN-VAN-ed886787-14
0.343
ALE-HEI-f28a35b5-14
0.342
AUS-ARG-7cfdce8f-11
0.341
DAR-DIA-842b4336-16
0.341
MED-UNK-e6e8ef8a-3
0.341
MAR-TRE-2fd8122f-37
0.341
CHA-MCP-85291e1d-4
0.341
ALE-MCD-4ac17b19-1
0.340
WIL-UNI-1faa9b10-8
0.340
CHR-SOS-7098f804-15
0.340
THO-SYG-f9b2970d-1
0.340
MAR-TRE-2fd8122f-11
0.340
DAR-DIA-842b4336-1
0.338
CHA-MCP-85291e1d-2
0.337
MAR-TRE-04c86cea-97
0.337